3-[2-(furan-2-yl)-2-oxoethyl]-1H-quinoxalin-2-one

C14H10N2O3 — CID 121209654

IUPAC3-[2-(furan-2-yl)-2-oxoethyl]-1H-quinoxalin-2-one
SMILESO=C(Cc1nc2ccccc2[nH]c1=O)c1ccco1
InChIInChI=1S/C14H10N2O3/c17-12(13-6-3-7-19-13)8-11-14(18)16-10-5-2-1-4-9(10)15-11/h1-7H,8H2,(H,16,18)
InChIKeyXFRKAGFOYSTTCM-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.94
Rot. Bonds3

About 3-[2-(furan-2-yl)-2-oxoethyl]-1H-quinoxalin-2-one

3-[2-(furan-2-yl)-2-oxoethyl]-1H-quinoxalin-2-one (PubChem CID 121209654) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)-2-oxoethyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[2-(furan-2-yl)-2-oxoethyl]-1H-quinoxalin-2-one
PubChem CID121209654
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name3-[2-(furan-2-yl)-2-oxoethyl]-1H-quinoxalin-2-one
SMILESO=C(Cc1nc2ccccc2[nH]c1=O)c1ccco1
InChIInChI=1S/C14H10N2O3/c17-12(13-6-3-7-19-13)8-11-14(18)16-10-5-2-1-4-9(10)15-11/h1-7H,8H2,(H,16,18)
InChIKeyXFRKAGFOYSTTCM-UHFFFAOYSA-N
XLogP1.94
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethylideneamino)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide
CID 3298414
N-[(Z)-furan-2-ylmethylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 112538062
[4-[(E)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 110341147
benzene-1,2-diamine;3-benzyl-1H-quinoxalin-2-one;2-oxo-3-phenylpropanoic acid
CID 160851609
N-(2-ethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164668
2-[6-(furan-2-yl)-6-oxohexyl]-3H-quinazolin-4-one
CID 137279052
N-[4-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide
CID 15531658
N-[2-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide
CID 11709106
(2R)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-3-oxopropanenitrile
CID 6928339
[2-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl] acetate
CID 13004252
N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 6877145
(2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-(furan-2-yl)acetic acid
CID 10778432

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-yl)-2-oxoethyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[2-(furan-2-yl)-2-oxoethyl]-1H-quinoxalin-2-one (CID 121209654) is 3-[2-(furan-2-yl)-2-oxoethyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[2-(furan-2-yl)-2-oxoethyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[2-(furan-2-yl)-2-oxoethyl]-1H-quinoxalin-2-one is O=C(Cc1nc2ccccc2[nH]c1=O)c1ccco1.
What is the InChIKey of 3-[2-(furan-2-yl)-2-oxoethyl]-1H-quinoxalin-2-one?
The InChIKey is XFRKAGFOYSTTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-12(13-6-3-7-19-13)8-11-14(18)16-10-5-2-1-4-9(10)15-11/h1-7H,8H2,(H,16,18).
What are the key properties of 3-[2-(furan-2-yl)-2-oxoethyl]-1H-quinoxalin-2-one?
3-[2-(furan-2-yl)-2-oxoethyl]-1H-quinoxalin-2-one has a molecular weight of 254.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-yl)-2-oxoethyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 121209654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).